SCHEMBL14013427

SCHEMBL14013427

CCN(CCCC(=O)NCCOC)c1cc(OC)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.45
▸ ITPR1 Q14643 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GBA1 P04062 3/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ FPR2 P25090 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14163351 0.95 P2RY6 (0.46) P2RY6ITPR1CA12CA1CA2
SCHEMBL14013342 0.93 HTR3A (0.44) P2RY6ITPR1CA12CA1CA2
SCHEMBL14013355 0.92 HTR3A (0.44) P2RY6ITPR1CA12CA1CA2
SCHEMBL14013358 0.91 HTR3A (0.47) P2RY6ITPR1CA12CA1CA2
SCHEMBL29348181 0.90 ITPR1 (0.42) P2RY6ITPR1CA12CA1CA2
SCHEMBL14013356 0.90 HTR3A (0.42) P2RY6ITPR1CA12CA1CA2
SCHEMBL14163350 0.90 MEN1 (0.46) P2RY6ITPR1CA12CA1CA2
SCHEMBL14163205 0.89 P2RY6 (0.45) P2RY6ITPR1CA12CA1CA2
SCHEMBL14013337 0.89 MEN1 (0.49) P2RY6ITPR1CA12CA1CA2
SCHEMBL19927823 0.88 P2RY6 (0.47) P2RY6ITPR1CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139158-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation 2016-05-19 — — US disclosed
US-20150037834-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation 2015-02-05 — — US disclosed
US-20130102021-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-25 — — US disclosed
US-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2008-11-06 — — US disclosed
US-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2008-11-06 — — US disclosed
WO-2008076524-A2 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2008-06-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE SLC11A2, MAN2B1, CD47 P2RY6 304/4885ITPR1 1208/4885CA12 1018/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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